Geometry & MOs

Info

ID:	308557
PubChem CID:	126497003
Reduced:	O5C10H14 (3)
Stoich.:	A5B10C14 (3)
Weight, g/mol:	314.08777
ΔH_f, kcal/mol:	-637.32
Dipole, Da:	3.9
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-dibenzothiophen-4-ylphenyl)ethane-1,2-diimine

Drug info:

PubChemData

Smile

CCO[C@H](C(C([C@H](C)O)O)O)OCC([C@H](C)O)OC([C@H](CO)O)OC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC(=C(C=C3)OC)O)O

DOS

IR

Vibrations